COC(=O)c1ccc(C=CC2CC(NS(=O)(=O)c3ccc(Cl)cc3)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1
SMILES: COC(=O)c1ccc(C=CC2CC(NS(=O)(=O)c3ccc(Cl)cc3)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1

Molecular Processing

Molecular formula
C26H24Cl2N2O6S2
Molecular weight
595.53
Exact mass
594.0453
XLogP
4.6
TPSA
109.85
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
146.13

Supplementary Information

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